3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 100859-88-9) — formula C6H5ClN4S, molecular weight 200.65; category organic chemicals.
| CAS Number | 100859-88-9 |
|---|---|
| Molecular Formula | C6H5ClN4S |
| Molecular Weight | 200.65 |
| LogP | 2 |
| Category | Organic Chemicals |
3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine is a carbon-based organic compound with CAS registry number 100859-88-9 and molecular formula C6H5ClN4S (molecular weight 200.65), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 100859-88-9
Its molecular formula C6H5ClN4S comprises 6 C, 5 H, 1 Cl, 4 N, 1 S atoms.
Also known as: 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine · 3-氯-6-(甲硫基)-1H-吡唑并[3,4-d]嘧啶
Category: organic chemicals
The CAS registry number of 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine is 100859-88-9.
Molecular formula C6H5ClN4S, molecular weight 200.65.
It is also registered under: 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine, 3-氯-6-(甲硫基)-1H-吡唑并[3,4-d]嘧啶.
Category: Organic Chemicals.
Independent reference data for 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 100859-88-9), compiled from public chemistry databases.
| CAS Registry Number | 100859-88-9 |
|---|---|
| PubChem CID | 21098062 |
| Molecular formula | C6H5ClN4S |
| IUPAC name | 3-chloro-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight | 200.65 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.9923450 |
| Monoisotopic Mass | 199.9923450 |
| Topological Polar Surface Area | 79.8 |
| Heavy Atom Count | 12 |
100859-88-9; 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine; 3-chloro-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine; MFCD12407811; 3-CHLORO-6-(METHYLSULFANYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE; 1H-Pyrazolo[3,4-d]pyrimidine, 3-chloro-6-(methylthio)-; HXUMCGPDKBIKSQ-UHFFFAOYSA-N; SCHEMBL4261404; DTXSID90610733; AKOS015892523; DS-11251; DB-058508; CS-0135762; C71047; F237334; F825915
3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine · CAS 100859-88-9 · C6H5ClN4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.